2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid

C13H15FO5 — CID 118847911

IUPAC2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid
SMILESCCOC(=O)CCc1cccc(F)c1C(O)C(=O)O
InChIInChI=1S/C13H15FO5/c1-2-19-10(15)7-6-8-4-3-5-9(14)11(8)12(16)13(17)18/h3-5,12,16H,2,6-7H2,1H3,(H,17,18)
InChIKeyWURICOZBFPKQJN-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.44
Rot. Bonds6

About 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid

2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid (PubChem CID 118847911) has the molecular formula C13H15FO5 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid
PubChem CID118847911
Molecular FormulaC13H15FO5
Molecular Weight270.26 g/mol
Exact Mass270.09
IUPAC Name2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid
SMILESCCOC(=O)CCc1cccc(F)c1C(O)C(=O)O
InChIInChI=1S/C13H15FO5/c1-2-19-10(15)7-6-8-4-3-5-9(14)11(8)12(16)13(17)18/h3-5,12,16H,2,6-7H2,1H3,(H,17,18)
InChIKeyWURICOZBFPKQJN-UHFFFAOYSA-N
XLogP1.44
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-amino-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118825025
2-[2-chloro-3-(3-ethoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 119021094
2-[3-(3-ethoxy-3-oxopropyl)-2-(hydroxymethyl)phenyl]-2-hydroxyacetic acid
CID 134657324
2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid
CID 135740859
2-[4-(3-ethoxy-3-oxopropyl)-3-ethylphenyl]-2-hydroxyacetic acid
CID 134656949
2-[2-(bromomethyl)-6-(3-methoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118804403
ethyl 3-amino-3-(2,6-difluorophenyl)propanoate
CID 43147915
ethyl 3-(2-amino-6-fluorophenyl)propanoate
CID 174546302
2-[2-(3-ethoxy-3-oxopropyl)-4-formylphenyl]-2-hydroxyacetic acid
CID 118814100
2-[2-(3-ethoxy-3-oxopropyl)-6-methylphenyl]acetic acid
CID 134614862
ethyl 4-[[2-(2,6-difluorophenyl)-2-hydroxyethyl]amino]butanoate
CID 64578937
ethyl 3-(2-fluoro-6-methoxyphenyl)propanoate
CID 134640472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid (CID 118847911) is 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid is CCOC(=O)CCc1cccc(F)c1C(O)C(=O)O.
What is the InChIKey of 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid?
The InChIKey is WURICOZBFPKQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO5/c1-2-19-10(15)7-6-8-4-3-5-9(14)11(8)12(16)13(17)18/h3-5,12,16H,2,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid?
2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid has a molecular weight of 270.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 118847911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).